CID 155858707

3-(acetylsulfanyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H8O2S
SMILES
CC(=O)SC1CC(=O)C1
InChI
InChI=1S/C6H8O2S/c1-4(7)9-6-2-5(8)3-6/h6H,2-3H2,1H3
InChIKey
RRFIIWUSJJGBDZ-UHFFFAOYSA-N
Compound name
S-(3-oxocyclobutyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 122.9
[M+Na]+ 167.01372 128.8
[M-H]- 143.01722 126.6
[M+NH4]+ 162.05832 138.2
[M+K]+ 182.98766 130.9
[M+H-H2O]+ 127.02176 112.5
[M+HCOO]- 189.02270 139.3
[M+CH3COO]- 203.03835 176.1
[M+Na-2H]- 164.99917 124.5
[M]+ 144.02395 132.9
[M]- 144.02505 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.